6-Deoxodolichosterone
PubChem CID: 13870426
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| Compound Synonyms | 6-Deoxodolichosterone, CHEBI:172685, 5a-Ergost-24(28)-ene-2a,3a,22R,23R-tetrol, 9CI, 17-(3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | YCYJLHFHRKUCQX-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 5a-Ergost-24(28)-ene-2a,3a,22R,23R-tetrol, 9CI, 6-Deoxodolichosterone |
| Heavy Atom Count | 32.0 |
| Compound Name | 6-Deoxodolichosterone |
| Description | Constituent of Phaseolus vulgaris (kidney bean) and Dolichos lablab (hyacinth bean). 6-Deoxodolichosterone is found in many foods, some of which are common bean, hyacinth bean, pulses, and yellow wax bean. |
| Exact Mass | 448.355 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 448.355 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 706.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 448.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-(3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15,17-26,29-32H,3,7-14H2,1-2,4-6H3 |
| Smiles | CC(C)C(=C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)O)O)C)C)O)O |
| Xlogp | 6.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C28H48O4 |
- 1. Outgoing r'ship
FOUND_INto/from Dolichos Lablab (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all